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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:42 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155166
Frequency0.5
Structure
Chemical FormulaC10H13NO4S
Molecular Mass243.0565
SMILESCc1cc(C(C)C(=O)O)ccc1S(N)(=O)=O
InChI KeyUUCYRBKYXOELPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic nitrogen compounds
  • organic oxides
  • organosulfonamides
  • toluenes
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carbonyl group
  • benzenesulfonamide
  • carboxylic acid
  • aminosulfonyl compound
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • organooxygen compound
  • benzenesulfonyl group